Molecule

ID:72336

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁ClN₂O₃S
Molecular Mass
262.71324
Exact Mass
262.0178909
Charge
0
InChI
InChI=1S/C9H11ClN2O3S/c1-6(10)9(13)12-7-2-4-8(5-3-7)16(11,14)15/h2-6H,1H3,(H,12,13)(H2,11,14,15)
InChIKey
CSFIQGHVRLMMHX-UHFFFAOYSA-N
Canonic Smiles
CC(C(=O)Nc1ccc(cc1)S(=O)(=O)N)Cl
Isomeric Smiles
S(=O)(=O)(c1ccc(NC(=O)C(Cl)C)cc1)N
Calculated Properties
JChem
Acid pKa
10.26796
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.92308843
LogD (pH = 7.4)
0.92257375
Log P
0.923095
Molar Refractivity
62.326
Polarizability
24.275366
Polar Surface Area
89.26
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation